2,4-diamino-6-(methylthio)pyrimidine-5-carbonitrile | 112637-64-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,4-diamino-6-(methylthio)pyrimidine-5-carbonitrile
• 英文别名: 2,4-Diamino-6-methylsulfanylpyrimidine-5-carbonitrile
• CAS: 112637-64-6
• 化学式: C₆H₇N₅S
• mdl: MFCD02257689
• 分子量: 181.221
• InChiKey: SJRJFNYYCWKDNG-UHFFFAOYSA-N

物化性质

• 沸点：
  520.2±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  碳酸胍 、 [双(甲硫基)亚甲基]丙烷二腈 以 吡啶 为溶剂， 以87%的产率得到2,4-diamino-6-(methylthio)pyrimidine-5-carbonitrile
  参考文献：
  名称：

  One-Pot Synthesis of 6-Substituted Amino-2,4-diaminopyrimidine Derivatives Using Ketene Dithioacetals with Amines and Guanidine Carbonate

  摘要：

  6-Substituted amino-2,4-diaminopyrimidine derivatives were prepared by one-pot synthesis using ketene dithioacetals, amine compounds, and guanidine carbonate in pyridine. These pyrimidine products displayed blue fluorescence in the solid state.

  DOI：

  10.3987/com-08-11587

文献信息

• Microwave-Assisted Solvent-Free Synthesis of Highly Functionalized Pyrimidine Derivatives
  作者：Shengjiao Yan、Yanfei Niu、Xuebing Chen、Yongjiang Liu、Jun Lin

  DOI：10.1002/jhet.891

  日期：2012.7

  We here described an efficient method for the synthesis of a series of highly functionalized pyrimidines via the addition and condensation reaction of ketene dithioacetals with guanidine carbonate or amidine hydrochlorides by microwave irradiation under solvent‐free conditions in the absence of a catalyst, giving the products with good yields (79–98%).